1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine

C15H21N3 — CID 114998039

IUPAC1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCc1[nH]c(C(N)Cc2ccccc2)nc1C(C)C
InChIInChI=1S/C15H21N3/c1-10(2)14-11(3)17-15(18-14)13(16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,16H2,1-3H3,(H,17,18)
InChIKeyPTBFAXOHXHPONH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds4

About 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine

1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine (PubChem CID 114998039) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine
PubChem CID114998039
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCc1[nH]c(C(N)Cc2ccccc2)nc1C(C)C
InChIInChI=1S/C15H21N3/c1-10(2)14-11(3)17-15(18-14)13(16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,16H2,1-3H3,(H,17,18)
InChIKeyPTBFAXOHXHPONH-UHFFFAOYSA-N
XLogP3.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2,4-di(propan-2-yl)-1H-imidazole
CID 66803864
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
CID 43650594
1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine
CID 82001742
1-[5-chloro-4-(2-fluoro-4-pyridinyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 77201526
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
azane;1-phenylpropan-2-amine
CID 67350534
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902728
1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine (CID 114998039) is 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine is Cc1[nH]c(C(N)Cc2ccccc2)nc1C(C)C.
What is the InChIKey of 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine?
The InChIKey is PTBFAXOHXHPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)14-11(3)17-15(18-14)13(16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine?
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 114998039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).